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Geometry for CH2O2 (Dioxirane) 1A1 C2V

1910171554
InChI=1S/CH2O2/c1-2-3-1/h1H2 INChIKey=ASQQEOXYFGEFKQ-UHFFFAOYSA-N

B3LYP/CEP-31G*


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.7411   0.7411 0.0000 0.0000
H2 0.9380 0.0000 1.3186   1.3186 0.9380 0.0000
H3 -0.9380 0.0000 1.3186   1.3186 -0.9380 0.0000
O4 0.0000 0.7573 -0.4428   -0.4428 0.0000 0.7573
O5 0.0000 -0.7573 -0.4428   -0.4428 0.0000 -0.7573
Atom - Atom Distances (Å)
  C1 H2 H3 O4 O5
C1 1.1015 1.1015 1.4054 1.4054
H2 1.1015 1.8761 2.1345 2.1345
H3 1.1015 1.8761 2.1345 2.1345
O4 1.4054 2.1345 2.1345 1.5147
O5 1.4054 2.1345 2.1345 1.5147
Maximum atom distance is 2.1345Å between atoms H2 and O4.
picture of Dioxirane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O4 O5 57.393 C1 O5 O4 57.393
O4 C1 O5 65.214
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 H3 116.762 H2 C1 O4 116.208
H2 C1 O5 116.208 H3 C1 O4 116.208
H3 C1 O5 116.208

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.